Crystal Impact outlook to 2023
December 16, 2022
Close to the end of the year 2022 we would like to give you an overview of what you can expect from Crystal Impact during the next year. We currently plan to provide the following improvements in 2023:
Diamond version 5 will be released. First, a Diamond 5 Preview will be available in the first weeks of the new year, followed by the actual release of version 5.0 in the 2nd quarter of 2023.
The most prominent improvements and new functions are:
- The Exploration view, where you can check and change the bonding spheres as well as spheres for non-bonding contacts and H-bonds in a special interactive way.
- New commands Take Picture and Continue With New Picture for an improved workflow when creating multiple pictures for a structure data set.
- More Pictures docking window and Caption Bar to complement the navigation in a document with multiple pictures. (See screenshot above. Tabs are still available.)
- The Take Image command for taking single images (snapshots) and drop them into the image buffer and save them later or create a video sequence from.
- A tool to import Registry settings from version 4 into version 5.
- New file import and export commands to complement "Open" and "Save As".
- A new version of the Crystallography Open Database (COD).
For more details, see What's New in Diamond Version 5.
With version 5, we will switch over to the update permission time model
that we are already using with our Match! software.
The update to Diamond 5 (and the Diamond 5 preview as well) will be free-of-charge for all customers who own a license for Diamond 4.
We are currently working on a new "dark mode". It will first become available in the macOS version, but we also plan to implement it for Windows and maybe also Linux. Here is a first impression (screenshot of the current state):
In a later release we would like to improve the peak list: For example, we will enable the user to select the columns that shall be displayed, with even more data/columns available than now. In addition, we are currently thinking about the possibility to integrate the crystallite size estimation tool into the peak list.
We will release a minor update (version 1.8c) for Endeavour that will provide some minor improvements and bug fixes.
For example, the modified default settings of some parameters will in many cases lead to finding the crystal structure with increased probability, by using a more extensive investigation of the hypersurface "R-factor and potential energy".
At the same time, we have tried to reduce the calculation time a little bit, by finishing the calculation earlier (at higher "temperatures"), when the final structure normally is already clearly visible, leaving the "finish" to a subsequent refinement calculation.
Pearson's Crystal Data
We expect the next release 2023/24 of Pearson's Crystal Data to become available in late summer or autumn of 2023, providing thousands of new entries.
As we have already announced, we will increase the net prices of all licenses for our software packages Diamond, Endeavour and Match! by about 8% starting on January 1, 2023. We have kept our prices constant for more than 14 years by now, but are no longer able to do so because of the ongoing inflation, unfortunately.
"Carefree package" for Online Delivery
If you purchase (or have purchased) your Crystal Impact software with electronic delivery (i.e. without installation medium), there is no need to worry about what happens if someday your computer gets damaged or lost:
All you have to do in this case is to send us an e-mail containing as many details of the purchase as possible, like the invoice or serial number of your license, the name of your institution and department, the address, the arbitrary date of purchase, or the name of the person who originally purchased the license. We will check if you are entitled to receive the license based on these data, and then send you a new delivery e-mail containing your license and installation instructions.
We wish you a Merry Christmas and a Happy New Year!
Klaus Brandenburg and Holger Putz